(2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid

C12H17NO3 — CID 90369220

IUPAC(2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1C(=O)C[C@@H](C(=O)O)[C@H]1C1C=CCCC1
InChIInChI=1S/C12H17NO3/c1-13-10(14)7-9(12(15)16)11(13)8-5-3-2-4-6-8/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,15,16)/t8?,9-,11-/m1/s1
InChIKeyZNWZDVIKHJBMAH-HOGWDWRMSA-N
MW223.27 g/mol
LogP1.27
Rot. Bonds2

About (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid

(2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 90369220) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID90369220
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1C(=O)C[C@@H](C(=O)O)[C@H]1C1C=CCCC1
InChIInChI=1S/C12H17NO3/c1-13-10(14)7-9(12(15)16)11(13)8-5-3-2-4-6-8/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,15,16)/t8?,9-,11-/m1/s1
InChIKeyZNWZDVIKHJBMAH-HOGWDWRMSA-N
XLogP1.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 90369220) is (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid is CN1C(=O)C[C@@H](C(=O)O)[C@H]1C1C=CCCC1.
What is the InChIKey of (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ZNWZDVIKHJBMAH-HOGWDWRMSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13-10(14)7-9(12(15)16)11(13)8-5-3-2-4-6-8/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,15,16)/t8?,9-,11-/m1/s1.
What are the key properties of (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
(2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclohex-2-en-1-yl-1-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 90369220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).